On the importance of RH3C⋯N tetrel bonding interactions in the solid state of a dinuclear zinc complex with a tetradentate Schiff base ligand

Abstract

The synthesis and X-ray characterization of a new dinuclear Zn complex using a tetradentate N₂O₂ donor Schiff base and azide as an anionic co-ligand of formula [(DMSO)₂ZnL(μ_1,1-N₃)Zn(N₃)₂] (1) are reported herein. This complex forms self-assembled dimers in the solid state governed by σ-hole tetrel bonding interactions (C⋯N) involving the Zn-coordinated methoxy group. The σ-hole tetrel bonding interaction has been differentiated from a trifurcated CH₃⋯N H-bonding interaction using the NBO analysis and the inspection of the donor–acceptor orbital interactions. Other interactions (like π-stacking) are also important governing the solid state architecture of the dinuclear Zn-complex. The energy of π-stacking interaction has also been estimated using DFT calculations and several computational tools (MEP surfaces, QTAIM and NCI plot analyses).